ethyl 2-octadecylsulfanylbenzoate

Systemtic Name: ethyl 2-octadecylsulfanylbenzoate Openeye Name: ethyl 2-octadecylsulfanylbenzoate CAS Name: 2-(octadecylthio)benzoic acid ethyl ester IUPAC Name: ethyl 2-octadecylsulfanylbenzoate Traditional Name: 2-(stearylthio)benzoic acid ethyl ester Formula: C27H46O2S MolecularWeight: 434.71794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC=CC=C1C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC=CC=C1C(=O)OCC

InChI

InChI=1S/C27H46O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30-26-23-20-19-22-25(26)27(28)29-4-2/h19-20,22-23H,3-18,21,24H2,1-2H3